Chemical identity

1-[4-(2-methylpropyl)phenyl]ethanol

CAS 40150-92-3 · C12H18O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-16908
PubChem CID181654
Name1-[4-(2-methylpropyl)phenyl]ethanol
CAS RN40150-92-3
Molecular formulaC12H18O
Molecular weight178.28 g/mol
IUPAC name1-(4-Isobutylphenyl)ethan-1-ol
InChIKeyVLVILBSSXMZZCB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 181654
Two-dimensional chemical structure of 1-[4-(2-methylpropyl)phenyl]ethanol, CAS 40150-92-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C1=CC=C(CC(C)C)C=C1)O
InChINot listed
Formula from structureC12H18O
Molecular weight from structure178.28 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 40150-92-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 40150-92-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Ibuprofen

View API and impurity family

Other names

  • Ibuprofen Impurity 3
  • 1-[4-(2-methylpropyl)phenyl]ethanol
  • alpha-(4-Isobutylphenyl)ethanol
  • 1-(4'-Isobutylphenyl)ethanol
  • a-(4-Isobutylphenyl)ethanol
  • Benzenemethanol, .alpha.-methyl-4-(2-methylpropyl)-
  • Benzene, 1-(1-hydroxyethyl)-4-isobutyl-

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources